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Research Output 1983 2019

(6)金属と樹脂界面の接着に関する分子論

Translated title of the contribution: Molecular Theory of the Adhesion between Metal and Resin瀬本貴之, 辻雄太 & 吉澤一成, Apr 1 2012, In : 日本接着学会誌 = Journal of the Adhesion Society of Japan : adhesion. 48, 4, p. 144-149 6 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)

Ab Initio CASSCF Study on Doublet and Quartet States of l,3,5-Tris(methylene)benzene and 1,3,5-Benzenetriamine Trication

Ito, A., Taniguchi, A., Yoshizawa, K., Tanaka, K. & Yamabe, T., Jan 1 1998, In : Bulletin of the Chemical Society of Japan. 71, 2, p. 337-343 7 p.

Research output: Contribution to journalArticle

Jahn-Teller effect
Benzene
Stars
Contamination
Topology
23 Citations (Scopus)

Ab initio MO study of diphenylamine derivatives: diphenylamine, diphenylaminium, diphenylaminyl and diphenylnitroxide

Ito, A., Ota, K. I., Yoshizawa, K., Tanaka, K. & Yamabe, T., Jun 10 1994, In : Chemical Physics Letters. 223, 1-2, p. 27-34 8 p.

Research output: Contribution to journalArticle

Diphenylamine
Conformations
Derivatives
Molecules
Molecular orbitals
3 Citations (Scopus)

Ab initio MO study of m-phenylenediamine and 2,4-diamino-1,3,5-triazine dication diradicals

Ito, A., Miyajima, H., Yoshizawa, K., Tanaka, K. & Yamabe, T., Mar 15 1997, In : Synthetic Metals. 85, 1-3, p. 1777-1778 2 p.

Research output: Contribution to journalArticle

Triazines
Aniline
Electronic structure
Cations
Polymers
23 Citations (Scopus)

Ab initio study on interaction and stability of lithium-doped amorphous carbons

Ago, H., Kato, M., Yahara, K., Yoshizawa, K., Tanaka, K. & Yamabe, T., Apr 1 1999, In : Journal of the Electrochemical Society. 146, 4, p. 1262-1269 8 p.

Research output: Contribution to journalArticle

Amorphous carbon
Molecular orbitals
Lithium
Carbon
lithium
32 Citations (Scopus)

Ab initio study on quartet states of non-Kekulé-type molecules 1,3,5-trimethylenebenzene and 1,3,5-triaminobenzene trication

Yoshizawa, K., Hatanaka, M., Matsuzaki, Y., Tanaka, K. & Yamabe, T., Jan 1 1994, In : The Journal of Chemical Physics. 100, 6, p. 4453-4458 6 p.

Research output: Contribution to journalArticle

Molecules
Geometry
geometry
molecules
Molecular orbitals
2 Citations (Scopus)

A bipodal dicyano anchor unit for single-molecule spintronic devices

Tsuji, Y., Semoto, T. & Yoshizawa, K., Aug 5 2013, In : ChemPhysChem. 14, 11, p. 2470-2475 6 p.

Research output: Contribution to journalArticle

Magnetoelectronics
Anchors
Molecules
electrodes
molecular energy levels
106 Citations (Scopus)

Abstraction of the hydrogen atom of methane by iron-oxo species: The concerted reaction path is energetically more favorable

Yoshizawa, K., Shiota, Y. & Yamabe, T., Jun 22 1998, In : Organometallics. 17, 13, p. 2825-2831 7 p.

Research output: Contribution to journalArticle

Alkanes
Methane
alkanes
Hydrogen
hydrogen atoms
5 Citations (Scopus)

Acid-Base Properties of a Freebase Form of a Quadruply Ring-Fused Porphyrin - Stepwise Protonation Induced by Rigid Ring-Fused Structure

Saegusa, Y., Ishizuka, T., Shiota, Y., Yoshizawa, K. & Kojima, T., Jan 6 2017, In : Journal of Organic Chemistry. 82, 1, p. 322-330 9 p.

Research output: Contribution to journalArticle

Protonation
Porphyrins
Pyrroles
Acids
Nitrogen

A cluster model study of the electron-phonon interaction magnesium diborate

Yoshizawa, K. & Kondo, M., Oct 22 2001, In : Journal of Chemical Physics. 115, 16, p. 7344-7347 4 p.

Research output: Contribution to journalArticle

Electron-phonon interactions
electron phonon interactions
Magnesium
magnesium
Molecular vibrations
18 Citations (Scopus)

ac magnetic susceptibility of TDAE-C60

Tanaka, K., Sato, T., Yoshizawa, K., Okahara, K., Yamabe, T. & Tokumoto, M., May 5 1995, In : Chemical Physics Letters. 237, 1-2, p. 123-126 4 p.

Research output: Contribution to journalArticle

Spin glass
Magnetic susceptibility
Phase transitions
magnetic permeability
spin glass
1 Citation (Scopus)

Adhesion of epoxy resin with hexagonal boron nitride and graphite

Tsuji, Y., Kitamura, Y., Someya, M., Takano, T., Yaginuma, M., Nakanishi, K. & Yoshizawa, K., Mar 1 2019, In : ACS Omega. 4, 3, p. 4491-4504 14 p.

Research output: Contribution to journalArticle

Epoxy Resins
Graphite
Boron nitride
Epoxy resins
Adhesion
10 Citations (Scopus)

Adsorption and Activation of Methane on the (110) Surface of Rutile-type Metal Dioxides

Tsuji, Y. & Yoshizawa, K., Jul 12 2018, In : Journal of Physical Chemistry C. 122, 27, p. 15359-15381 23 p.

Research output: Contribution to journalArticle

Methane
dioxides
rutile
methane
Metals
4 Citations (Scopus)

Aerobic oxidation of alkanes on icosahedron gold nanoparticle Au55

Staykov, A. T., Miwa, T. & Yoshizawa, K., Aug 1 2018, In : Journal of Catalysis. 364, p. 141-153 13 p.

Research output: Contribution to journalArticle

Alkanes
Gold
Paraffins
alkanes
Hydroxylation
25 Citations (Scopus)

A ferromagnetically coupled Fe 42 cyanide-bridged nanocage

Kang, S., Zheng, H., Liu, T., Hamachi, K., Kanegawa, S., Sugimoto, K., Shiota, Y., Hayami, S., Mito, M., Nakamura, T., Nakano, M., Baker, M. L., Nojiri, H., Yoshizawa, K., Duan, C. & Sato, O., Jan 6 2015, In : Nature communications. 6, 6955.

Research output: Contribution to journalArticle

Cyanides
cyanides
Iron
iron
Ions
101 Citations (Scopus)

A light-induced spin crossover actuated single-chain magnet

Liu, T., Zheng, H., Kang, S., Shiota, Y., Hayami, S., Mito, M., Sato, O., Yoshizawa, K., Kanegawa, S. & Duan, C., Jan 1 2013, In : Nature communications. 4, 2826.

Research output: Contribution to journalArticle

Magnets
crossovers
magnets
Iron
Light
62 Citations (Scopus)

Alkane oxidation by VO2+ in the gas phase: A unique dependence of reactivity on the chain length

Engeser, M., Schlangen, M., Schröder, D., Schwarz, H., Yumura, T. & Yoshizawa, K., Sep 15 2003, In : Organometallics. 22, 19, p. 3933-3943 11 p.

Research output: Contribution to journalArticle

Propane
Alkanes
butanes
Chain length
propane
52 Citations (Scopus)

A low-spin ruthenium(IV)-oxo complex: Does the spin state have an impact on the reactivity?

Kojima, T., Hirai, Y., Ishizuka, T., Shiota, Y., Yoshizawa, K., Ikemura, K., Ogura, T. & Fukuzumi, S., Nov 2 2010, In : Angewandte Chemie - International Edition. 49, 45, p. 8449-8453 5 p.

Research output: Contribution to journalArticle

Ruthenium
Bearings (structural)
Catalytic oxidation
Organic compounds
Protons
8 Citations (Scopus)

An ab initio study on the structure and reactivity of 1,4-disilabenzene

Kang, S. Y., Yoshizawa, K., Yamabe, T., Naka, A. & Ishikawa, M., Oct 6 2000, In : Journal of Organometallic Chemistry. 611, 1-2, p. 280-287 8 p.

Research output: Contribution to journalArticle

Conversion Disorder
Acetylene
Cycloaddition Reaction
reactivity
Activation energy

Analysis of Enzymatic Reactions By Quantum Chemical Calculations

Yoshizawa, K., Jan 1 2012, In : Yakugaku Zasshi. 132, 8, p. 863-871 9 p.

Research output: Contribution to journalArticle

Propanediol Dehydratase
Quantum Theory
Catalytic Domain
methane monooxygenase
Amino Acids
42 Citations (Scopus)

Analysis of photoinduced magnetization in a (Co, Fe) Prussian blue model

Yoshizawa, K., Mohri, F., Nuspl, G. & Yamabe, T., Jul 9 1998, In : Journal of Physical Chemistry B. 102, 28, p. 5432-5437 6 p.

Research output: Contribution to journalArticle

Magnetization
Ions
magnetization
Ground state
electron transfer

An azulene-based chiral helicene and its air-stable cation radical

Narita, M., Teraoka, T., Murafuji, T., Shiota, Y., Yoshizawa, K., Mori, S., Uno, H., Kanegawa, S., Sato, O., Goto, K. & Tani, F., Jan 1 2019, In : Bulletin of the Chemical Society of Japan. 92, 11, p. 1867-1873 7 p.

Research output: Contribution to journalArticle

Open Access
Cations
Paramagnetic resonance
Air
Oxidation
Enantiomers
18 Citations (Scopus)

An Azulene-Fused Tetracene Diimide with a Small HOMO–LUMO Gap

Koide, T., Takesue, M., Murafuji, T., Satomi, K., Suzuki, Y., Kawamata, J., Terai, K., Suzuki, M., Yamada, H., Shiota, Y., Yoshizawa, K. & Tani, F., Aug 1 2017, In : ChemPlusChem. 82, 7, p. 1010-1014 5 p.

Research output: Contribution to journalArticle

Electronic properties
Photons
azulene
naphthacene
6 Citations (Scopus)

An ESR analysis of C60S16

Tanaka, K., Ago, H., Yoshizawa, K., Yamabe, T., Li, J. & Kitazawa, K., Mar 24 1995, In : Chemical Physics Letters. 235, 3-4, p. 217-220 4 p.

Research output: Contribution to journalArticle

Paramagnetic resonance
electron paramagnetic resonance
Anisotropy
anisotropy
Molecules
14 Citations (Scopus)

A New Family of Anionic FeIII Spin Crossover Complexes Featuring a Weak-Field N2O4 Coordination Octahedron

Takahashi, K., Kawamukai, K., Okai, M., Mochida, T., Sakurai, T., Ohta, H., Yamamoto, T., Einaga, Y., Shiota, Y. & Yoshizawa, K., Jan 22 2016, In : Chemistry - A European Journal. 22, 4, p. 1253-1257 5 p.

Research output: Contribution to journalArticle

Ligands
Magnetic susceptibility
Discrete Fourier transforms
Anions
Negative ions
3 Citations (Scopus)

A new understanding on how heme metabolism occurs in heme oxygenase: Water-assisted oxo mechanism

Kamachi, T., Nishimi, T. & Yoshizawa, K., Oct 14 2012, In : Dalton Transactions. 41, 38, p. 11642-11650 9 p.

Research output: Contribution to journalArticle

Heme Oxygenase (Decyclizing)
Heme
Metabolism
Water
Molecules
9 Citations (Scopus)

Anisotropic Change in the Magnetic Susceptibility of a Dynamic Single Crystal of a Cobalt(II) Complex

Yao, Z. S., Wu, S. Q., Kitagawa, Y., Su, S. Q., Huang, Y. G., Li, G. L., Ni, Z. H., Nojiri, H., Shiota, Y., Yoshizawa, K., Kang, S., Kanegawa, S. & Sato, O., Jan 1 2017, In : Angewandte Chemie - International Edition. 56, 3, p. 717-721 5 p.

Research output: Contribution to journalArticle

Cobalt
Magnetic susceptibility
Oxalates
Single crystals
Angular momentum
28 Citations (Scopus)

A non-radical mechanism for methane hydroxylation at the diiron active site of soluble methane monooxygenase

Yoshizawa, K. & Yumura, T., May 23 2003, In : Chemistry - A European Journal. 9, 10, p. 2347-2358 12 p.

Research output: Contribution to journalArticle

methane monooxygenase
Hydroxylation
Methane
Methanol
Ligands
65 Citations (Scopus)

An orbital rule for electron transport in molecules

Yoshizawa, K., Sep 18 2012, In : Accounts of Chemical Research. 45, 9, p. 1612-1621 10 p.

Research output: Contribution to journalArticle

Molecules
Metals
Electron transport properties
Derivatives
Green's function
11 Citations (Scopus)

A QSAR study on the inhibition mechanism of matrix metalloproteinase-12 by arylsulfone analogs based on molecular orbital calculations

Hitaoka, S., Chuman, H. & Yoshizawa, K., Jan 21 2015, In : Organic and Biomolecular Chemistry. 13, 3, p. 793-806 14 p.

Research output: Contribution to journalArticle

Matrix Metalloproteinase 12
Hydroxamic Acids
Orbital calculations
Quantitative Structure-Activity Relationship
Molecular orbitals
11 Citations (Scopus)

A Ruthenium(III)–Oxyl Complex Bearing Strong Radical Character

Shimoyama, Y., Ishizuka, T., Kotani, H., Shiota, Y., Yoshizawa, K., Mieda, K., Ogura, T., Okajima, T., Nozawa, S. & Kojima, T., Jan 1 2016, In : Angewandte Chemie - International Edition. 55, 45, p. 14041-14045 5 p.

Research output: Contribution to journalArticle

Bearings (structural)
Ruthenium
Oxidation
Benzoic Acid
Benzoic acid
7 Citations (Scopus)

A second-order effect causing the layer structure of arsenic

Yoshizawa, K., Yumura, T. & Yamabe, T., Jun 15 1999, In : Journal of Chemical Physics. 110, 23, p. 11534-11541 8 p.

Research output: Contribution to journalArticle

Arsenic
arsenic
Fermi level
Germanium
Jahn-Teller effect
87 Citations (Scopus)
Methane
Methanol
Orbits
methane
methyl alcohol
9 Citations (Scopus)

A Square-Planar Complex of Platinum(0)

Takeuchi, K., Taguchi, H. O., Tanigawa, I., Tsujimoto, S., Matsuo, T., Tanaka, H., Yoshizawa, K. & Ozawa, F., Jan 1 2016, In : Angewandte Chemie - International Edition. 55, 49, p. 15347-15350 4 p.

Research output: Contribution to journalArticle

Platinum
Geometry
Ligands
Discrete Fourier transforms
Pyridine
18 Citations (Scopus)

Assembling an alkyl rotor to access abrupt and reversible crystalline deformation of a cobalt(II) complex

Su, S. Q., Kamachi, T., Yao, Z. S., Huang, Y. G., Shiota, Y., Yoshizawa, K., Azuma, N., Miyazaki, Y., Nakano, M., Maruta, G., Takeda, S., Kang, S., Kanegawa, S. & Sato, O., Nov 4 2015, In : Nature communications. 6, 8810.

Research output: Contribution to journalArticle

assembling
Cobalt
rotors
cobalt
Rotors
15 Citations (Scopus)

A stability condition for the Hartree-Fock solution of the infinite one-dimensional system

Tanaka, K., Kobayashi, H., Yamanaka, S., Yoshizawa, K. & Yamabe, T., Jan 1 1989, In : The Journal of Chemical Physics. 91, 6, p. 3724-3728 5 p.

Research output: Contribution to journalArticle

Polyacetylenes
polyacetylene
Fermi level
self consistent fields
Polymers

A study of adhesion interface about die bonding structure with conductive silver paste

Tsurumi, N., Masago, N., Baba, T., Murata, H., Tsuji, Y. & Yoshizawa, K., Jan 4 2019, 2018 IEEE CPMT Symposium Japan, ICSJ 2018. Institute of Electrical and Electronics Engineers Inc., p. 45-48 4 p. 8602784. (2018 IEEE CPMT Symposium Japan, ICSJ 2018).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Adhesive pastes
Ointments
Silver
adhesion
Adhesion
4 Citations (Scopus)

Asymmetric diarylethene as a dual-functional device combining switch and diode

Tsuji, Y., Koga, J. & Yoshizawa, K., Aug 29 2013, In : Bulletin of the Chemical Society of Japan. 86, 8, p. 947-954 8 p.

Research output: Contribution to journalArticle

Diodes
Switches
Silicon
Electron transport properties
Molecular electronics
61 Citations (Scopus)

A theoretical measurement of the quantum transport through an optical molecular switch

Kondo, M., Tada, T. & Yoshizawa, K., Aug 25 2005, In : Chemical Physics Letters. 412, 1-3, p. 55-59 5 p.

Research output: Contribution to journalArticle

Fermi level
switches
Switches
Green's function
Gold
50 Citations (Scopus)

A theoretical study of alcohol oxidation by ferrate

Ohta, T., Kamachi, T., Shiota, Y. & Yoshizawa, K., Jun 15 2001, In : Journal of Organic Chemistry. 66, 12, p. 4122-4131 10 p.

Research output: Contribution to journalArticle

Methanol
Alcohols
Oxidation
Formaldehyde
Organometallics
25 Citations (Scopus)

A theoretical study of reactivity and regioselectivity in the hydroxylation of adamantane by ferrate(VI)

Shiota, Y., Kihara, N., Kamachi, T. & Yoshizawa, K., May 16 2003, In : Journal of Organic Chemistry. 68, 10, p. 3958-3965 8 p.

Research output: Contribution to journalArticle

Adamantane
Regioselectivity
Hydroxylation
Atoms
Hydrogen
17 Citations (Scopus)

A theoretical study of spin-orbit coupling in an Fe(II) spin-crossover complex. Mechanism of the LIESST effect

Kondo, M. & Yoshizawa, K., Apr 29 2003, In : Chemical Physics Letters. 372, 3-4, p. 519-523 5 p.

Research output: Contribution to journalArticle

crossovers
Orbits
trapping
orbits
83 Citations (Scopus)

A theoretical study of the dynamic behavior of alkane hydroxylation by a compound I model of cytochrome P450

Yoshizawa, K., Kamachi, T. & Shiota, Y., Oct 10 2001, In : Journal of the American Chemical Society. 123, 40, p. 9806-9816 11 p.

Research output: Contribution to journalArticle

Hydroxylation
Alkanes
Kinetic energy
Paraffins
Cytochrome P-450 Enzyme System
50 Citations (Scopus)

A theoretical study on the geometrical features of finite-length carbon nanotubes capped with fullerene hemisphere

Yumura, T., Hirahara, K., Bandow, S., Yoshizawa, K. & Iijima, S., Mar 1 2004, In : Chemical Physics Letters. 386, 1-3, p. 38-43 6 p.

Research output: Contribution to journalArticle

Fullerenes
Polyenes
Carbon Nanotubes
hemispheres
Discrete Fourier transforms
184 Citations (Scopus)

A theoretical study on the mechanism of camphor hydroxylation by compound I of cytochrome p450

Kamachi, T. & Yoshizawa, K., Apr 16 2003, In : Journal of the American Chemical Society. 125, 15, p. 4652-4661 10 p.

Research output: Contribution to journalArticle

Camphor
Hydroxylation
Cytochrome P-450 Enzyme System
Theoretical Models
Reaction intermediates
11 Citations (Scopus)

A vibrational analysis on possible peroxo forms of soluble methane monooxygenase

Yumura, T. & Yoshizawa, K., Jul 1 2004, In : Bulletin of the Chemical Society of Japan. 77, 7, p. 1305-1311 7 p.

Research output: Contribution to journalArticle

methane monooxygenase
Stretching
Discrete Fourier transforms
Isotopes
Oxygen
16 Citations (Scopus)

Azaferrocene-Based PNP-Type Pincer Ligand: Synthesis of Molybdenum, Chromium, and Iron Complexes and Reactivity toward Nitrogen Fixation

Kuriyama, S., Arashiba, K., Nakajima, K., Tanaka, H., Yoshizawa, K. & Nishibayashi, Y., Jan 1 2016, In : European Journal of Inorganic Chemistry. 2016, 30, p. 4856-4861 6 p.

Research output: Contribution to journalArticle

Nitrogen fixation
Molybdenum
Chromium
Iron
Ligands
70 Citations (Scopus)

Bandgap oscillation in polyphenanthrenes

Yoshizawa, K., Yahara, K., Tanaka, K. & Yamabe, T., Jan 15 1998, In : Journal of Physical Chemistry B. 102, 3, p. 498-506 9 p.

Research output: Contribution to journalArticle

phenanthrene
Ladders
ladders
Electronic structure
Polymers
6 Citations (Scopus)

Binding of Scandium Ions to Metalloporphyrin-Flavin Complexes for Long-Lived Charge Separation

Kojima, T., Kobayashi, R., Ishizuka, T., Yamakawa, S., Kotani, H., Nakanishi, T., Ohkubo, K., Shiota, Y., Yoshizawa, K. & Fukuzumi, S., Nov 1 2014, In : Chemistry - A European Journal. 20, 47, p. 15518-15532 15 p.

Research output: Contribution to journalArticle

Scandium
Metalloporphyrins
Ions
Electrons
Porphyrins
34 Citations (Scopus)

Bistability of magnetization without spin-transition in a high-spin cobalt(II) complex due to angular momentum quenching

Juhász, G., Matsuda, R., Kanegawa, S., Inoue, K., Sato, O. & Yoshizawa, K., Apr 8 2009, In : Journal of the American Chemical Society. 131, 13, p. 4560-4561 2 p.

Research output: Contribution to journalArticle

Angular momentum
Cobalt
Quenching
Magnetization
Magnetic susceptibility